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Volume 68 
Part 1 
Page m83  
January 2012  

Received 2 December 2011
Accepted 16 December 2011
Online 23 December 2011

Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](C-C) = 0.015 Å
R = 0.060
wR = 0.102
Data-to-parameter ratio = 14.7
Details
Open access

Bis(4-fluorobenzyl)bis(4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiodiazole-2-thiolato)tin(IV)

aCollege of Chemistry and Chemical Engineering, Liaocheng University, Shandong 252059, People's Republic of China
Correspondence e-mail: drzengsy@163.com

In the title complex, [Sn(C7H6F)2(C8H5N2S3)2], including the weak Sn-N interactions, the SnIV atom is situated in a distorted trans-octahedral geometry, and the equatorial plane is defined by two chelating 4-phenyl-5-sulfanylidene-4,5-dihydro-1,3,4-thiodiazole-2-thiolate ligands. The apical positions are occupied by two C atoms of 4-fluorobenzyl groups.

Related literature

For related diorganotin(IV) 2-mercapto-4-methylpyrimidine derivatives, see: Ma et al. (2005[Ma, C.-L., Zhang, J.-H., Tian, G.-R. & Zhang, R.-F. (2005). J. Organomet. Chem. pp. 519-533.]).

[Scheme 1]

Experimental

Crystal data
  • [Sn(C7H6F)2(C8H5N2S3)2]

  • Mr = 787.57

  • Triclinic, [P \overline 1]

  • a = 10.856 (1) Å

  • b = 12.5901 (13) Å

  • c = 13.3741 (15) Å

  • [alpha] = 80.278 (2)°

  • [beta] = 66.686 (1)°

  • [gamma] = 77.918 (1)°

  • V = 1634.0 (3) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 1.21 mm-1

  • T = 298 K

  • 0.10 × 0.08 × 0.05 mm

Data collection
  • Siemens SMART CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.889, Tmax = 0.942

  • 8703 measured reflections

  • 5687 independent reflections

  • 2469 reflections with I > 2[sigma](I)

  • Rint = 0.068

Refinement
  • R[F2 > 2[sigma](F2)] = 0.060

  • wR(F2) = 0.102

  • S = 0.83

  • 5687 reflections

  • 388 parameters

  • 6 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.53 e Å-3

  • [Delta][rho]min = -0.57 e Å-3

Table 1
Selected geometric parameters (Å, °)

Sn1-C17 2.118 (7)
Sn1-C24 2.134 (6)
Sn1-S5 2.482 (2)
Sn1-S2 2.493 (2)
C17-Sn1-C24 133.4 (3)
C17-Sn1-S5 109.1 (2)
C24-Sn1-S5 104.6 (2)
C17-Sn1-S2 103.5 (2)

Data collection: SMART (Siemens, 1996[Siemens (1996). SMART and SAINT. Siemens Analytical X-ray Instruments Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Siemens, 1996[Siemens (1996). SMART and SAINT. Siemens Analytical X-ray Instruments Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HP2022 ).


Acknowledgements

The authors thank the State Key Laboratory of Crystal Materials (SRT11055HX2), Liaocheng University, China, and the Liaocheng University Foundation (xo9013) for financial support.

References

Ma, C.-L., Zhang, J.-H., Tian, G.-R. & Zhang, R.-F. (2005). J. Organomet. Chem. pp. 519-533.  [CSD] [CrossRef]
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Siemens (1996). SMART and SAINT. Siemens Analytical X-ray Instruments Inc., Madison, Wisconsin, USA.


Acta Cryst (2012). E68, m83  [ doi:10.1107/S1600536811054274 ]

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